4-[5-azanyl-4-(3-iodanylphenyl)carbonyl-pyrazol-1-yl]benzenesulfonamide

Systemtic Name: 4-[5-azanyl-4-(3-iodanylphenyl)carbonyl-pyrazol-1-yl]benzenesulfonamide Openeye Name: 4-[5-amino-4-(3-iodobenzoyl)pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[5-amino-4-[(3-iodophenyl)-oxomethyl]-1-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[5-amino-4-(3-iodobenzoyl)pyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[5-amino-4-(3-iodobenzoyl)pyrazol-1-yl]benzenesulfonamide Formula: C16H13IN4O3S MolecularWeight: 468.26889

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)S(=O)(=O)N)N

Isomeric SMILES

C1=CC(=CC(=C1)I)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)S(=O)(=O)N)N

InChI

InChI=1S/C16H13IN4O3S/c17-11-3-1-2-10(8-11)15(22)14-9-20-21(16(14)18)12-4-6-13(7-5-12)25(19,23)24/h1-9H,18H2,(H2,19,23,24)